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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1102
CHEMBL1102
Compound Name GLUTETHIMIDE
ChEMBL Synonyms Glutethimide | DORIDEN
Max Phase 4 (Approved)
Trade Names Glutethimide | DORIDEN
Molecular Formula C13H15NO2

Additional synonyms for CHEMBL1102 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(CCC(=O)NC1=O)c2ccccc2
Standard InChI InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(1 ...
Download InChI
Standard InChI Key JMBQKKAJIKAWKF-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1102

Molecule Features

CHEMBL1102 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
GABA-A receptor; anion channel positive modulator GABA-A receptor; anion channel ISBN PubMed

Clinical Data

ClinicalTrials.gov GLUTETHIMIDE
The Cochrane Collaboration GLUTETHIMIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1102. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.945
CHEMBL233 Mu opioid receptor Homo sapiens 0.936
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.882
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.874
CHEMBL237 Kappa opioid receptor Homo sapiens 0.711
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.697
CHEMBL4102 Cyclooxygenase-2 Ovis aries 0.695
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.603
CHEMBL208 Progesterone receptor Homo sapiens 0.447
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.275
CHEMBL4822 Beta-secretase 1 Homo sapiens 0.230



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 0.981
CHEMBL237 Kappa opioid receptor Homo sapiens 0.924
CHEMBL236 Delta opioid receptor Homo sapiens 0.358
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.295
CHEMBL208 Progesterone receptor Homo sapiens 0.255
CHEMBL4822 Beta-secretase 1 Homo sapiens 0.229

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
217.3 217.1103 2.03 2 46.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.36 - 1.75 1.75 1 16 0.77

Structural Alerts

There are 3 structural alerts for CHEMBL1102. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CE - Piperidinedione derivatives
N05CE01 - glutethimide

ChemSpider ChemSpider:JMBQKKAJIKAWKF-UHFFFAOYSA-N
PubChem SID: 144205194 SID: 170465223 SID: 29215340
Wikipedia Glutethimide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1102



ACToR 77-21-4
Brenda 93511
ChEBI 5439
DrugBank DB01437
DrugCentral 1313
EPA CompTox Dashboard DTXSID1023102
Guide to Pharmacology 7192
Human Metabolome Database HMDB0015505
IBM Patent System 318DC3BDEC8C35B79BC6BBF8458AD38D
KEGG Ligand C07489
Nikkaji J1.475C
PharmGKB PA164749505
PubChem 3487
PubChem: Thomson Pharma 15414774
SureChEMBL SCHEMBL113708

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/JMBQKKAJIKAWKF-UHFFFAOYSA-N spacer
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